Vitas-M small molecule compound
8-(4-{(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL368020
SMILES COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H23ClN6O5 MW 534.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN6O5/c1-14-18(23(34)33(29-14)17-8-6-7-16(27)13-17)11-15-9-10-19(20(12-15)37-5)38-25-28-22-21(30(25)2)24(35)32(4)26(36)31(22)3/h6-13H,1-5H3/b18-11-InChIKey
PXGMANHYUCIBEY-WQRHYEAKSA-NSynonyms
8(4((Z)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenoxy)137trimethyl37dihydro1Hpurine26dione
8(4((Z)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)2methoxyphenoxy)137trimethylpurine26dione
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)OC)C5=CC(=CC=C5)Cl
COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C=C1C(=NN(C1=O)c1cccc(c1)Cl)C
InChI=1SC26H23ClN6O5c11418(23(34)33(2914)1786716(27)1317)111591019(20(1215)375)3825282221(30(25)2)24(35)32(4)26(36)31(22)3h613H15H3b1811
MFCD28951996
ZINC000105965889
ZINC105965889
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